SCHEMBL4885880

SCHEMBL4885880

COc1nc(NC(=O)c2ccc(Cl)cc2)c(C(=O)OC(C)(C)C)n1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MAPT P10636 5/20 0.38
UBE2N P61088 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
APAF1 O14727 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4789019 0.88 SMN1; SMN2 (0.41) MAPTUBE2NL3MBTL1APAF1MAPK1
SCHEMBL4786438 0.87 CNR1 (0.43) CNR1CNR2MAPTL3MBTL1ALDH1A1
SCHEMBL4897158 0.84 MAPT (0.41) MAPTKDM4EALDH1A1HPGD
SCHEMBL4894672 0.83 MAPK14 (0.34) CNR1CNR2MAPTL3MBTL1MAPK1
SCHEMBL4897672 0.82 FFAR2 (0.40) MAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL4899257 0.81 GRN (0.42) MAPTL3MBTL1MAPK1CASP3SENP8
SCHEMBL3290393 0.80 LMNA (0.41) MAPTSMN1; SMN2ALDH1A1ADORA1KMT2A
SCHEMBL14020621 0.79 KDM4E (0.34) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL4897212 0.78 KDM4E (0.42) MAPTMAPK1KDM4ENPC1RAB9A
SCHEMBL14045306 0.76 LMNA (0.37) CNR2MAPTKDM4EALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 ASTRAZENECA AB (SE) 2008-10-23 US claimed
US-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 ASTRAZENECA AB (SE) 2008-10-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 GABRB2, GABRA2, GABBR2 CNR1 82/4885CNR2 54/4885MAPT 1814/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.